3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

C10H6F2N2O3 — CID 117352440

IUPAC3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(O)c(F)cc2F)n[nH]1
InChIInChI=1S/C10H6F2N2O3/c11-5-2-6(12)9(15)1-4(5)7-3-8(10(16)17)14-13-7/h1-3,15H,(H,13,14)(H,16,17)
InChIKeyWQKMSAQHSRJLNC-UHFFFAOYSA-N
MW240.16 g/mol
LogP1.76
Rot. Bonds2

About 3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117352440) has the molecular formula C10H6F2N2O3 and a molecular weight of 240.16 g/mol. Its IUPAC name is 3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117352440
Molecular FormulaC10H6F2N2O3
Molecular Weight240.16 g/mol
Exact Mass240.03
IUPAC Name3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(O)c(F)cc2F)n[nH]1
InChIInChI=1S/C10H6F2N2O3/c11-5-2-6(12)9(15)1-4(5)7-3-8(10(16)17)14-13-7/h1-3,15H,(H,13,14)(H,16,17)
InChIKeyWQKMSAQHSRJLNC-UHFFFAOYSA-N
XLogP1.76
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 117352440) is 3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(O)c(F)cc2F)n[nH]1.
What is the InChIKey of 3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is WQKMSAQHSRJLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O3/c11-5-2-6(12)9(15)1-4(5)7-3-8(10(16)17)14-13-7/h1-3,15H,(H,13,14)(H,16,17).
What are the key properties of 3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 240.16 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-5-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117352440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).